3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(6-nitro-3-pyridyl)piperazino]propan-1-one Formula: C27H27N5O4 MolecularWeight: 485.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CCN(CC4)C5=CN=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CCN(CC4)C5=CN=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O4/c1-36-21-9-6-19(7-10-21)27-23(22-4-2-3-5-24(22)29-27)11-13-26(33)31-16-14-30(15-17-31)20-8-12-25(28-18-20)32(34)35/h2-10,12,18,29H,11,13-17H2,1H3